N-(2-methyloxan-4-yl)ethanesulfonamide

C8H17NO3S — CID 103887605

IUPACN-(2-methyloxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-4-5-12-7(2)6-8/h7-9H,3-6H2,1-2H3
InChIKeyJXAWCXCLEWTKHY-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.49
Rot. Bonds3

About N-(2-methyloxan-4-yl)ethanesulfonamide

N-(2-methyloxan-4-yl)ethanesulfonamide (PubChem CID 103887605) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is N-(2-methyloxan-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyloxan-4-yl)ethanesulfonamide
PubChem CID103887605
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC NameN-(2-methyloxan-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCOC(C)C1
InChIInChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-4-5-12-7(2)6-8/h7-9H,3-6H2,1-2H3
InChIKeyJXAWCXCLEWTKHY-UHFFFAOYSA-N
XLogP0.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(sulfamoylamino)oxane
CID 103887477
4-(ethylamino)-N-(2-methyloxan-4-yl)butane-1-sulfonamide
CID 114142692
methyl 4-[(2-methyloxan-4-yl)sulfamoyl]butanoate
CID 113346278
1-cyano-N-(2-methyloxan-4-yl)propane-1-sulfonamide
CID 103887652
N-(3,4-dimethylcyclohexyl)ethanesulfonamide
CID 64748802
3-(ethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 66032739
N-[3-[(2-methyloxan-4-yl)amino]propyl]methanesulfonamide
CID 103910287
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
ethyl N-(2-methyloxan-4-yl)carbamate
CID 103889471
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
4-(ethylaminomethyl)-N-(2-methyloxan-4-yl)-1H-pyrazole-5-sulfonamide
CID 106094012
1-(2-methyloxan-4-yl)-3-propylurea
CID 103887319

Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxan-4-yl)ethanesulfonamide?
The IUPAC name of N-(2-methyloxan-4-yl)ethanesulfonamide (CID 103887605) is N-(2-methyloxan-4-yl)ethanesulfonamide.
What is the SMILES notation for N-(2-methyloxan-4-yl)ethanesulfonamide?
The canonical SMILES for N-(2-methyloxan-4-yl)ethanesulfonamide is CCS(=O)(=O)NC1CCOC(C)C1.
What is the InChIKey of N-(2-methyloxan-4-yl)ethanesulfonamide?
The InChIKey is JXAWCXCLEWTKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-13(10,11)9-8-4-5-12-7(2)6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of N-(2-methyloxan-4-yl)ethanesulfonamide?
N-(2-methyloxan-4-yl)ethanesulfonamide has a molecular weight of 207.29 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxan-4-yl)ethanesulfonamide is sourced from PubChem (CID 103887605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).